LAMMPS (19 Sep 2019)
  using 1 OpenMP thread(s) per MPI task
# GJF-2GJ thermostat

units   	metal
atom_style      full

boundary 	p p p
read_data argon.lmp
  orthogonal box = (0 0 0) to (32.146 32.146 32.146)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  864 atoms
  0 = max # of 1-2 neighbors
  0 = max # of 1-3 neighbors
  0 = max # of 1-4 neighbors
  1 = max # of special neighbors
  special bonds CPU = 0.000556268 secs
  read_data CPU = 0.003817 secs

include ff-argon.lmp
#############################
#Atoms types - mass - charge#
#############################
#@ 1 atom types #!THIS LINE IS NECESSARY DON'T SPEND HOURS FINDING THAT OUT!#

variable Ar equal 1

#############
#Atom Masses#
#############

mass ${Ar}      39.903
mass 1      39.903

###########################
#Pair Potentials - Tersoff#
###########################

pair_style      lj/cubic
pair_coeff      * * 0.0102701 3.42


velocity all create 10 2357 mom yes dist gaussian

neighbor 1 bin

timestep 0.1

fix lang all langevin 10 10 1 26488 gjf vfull
fix nve all nve

thermo 200
run 5000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.94072
  ghost atom cutoff = 6.94072
  binsize = 3.47036, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cubic, perpetual
      attributes: half, newton on
      pair build: half/bin/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.808 | 6.808 | 6.808 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0    11.080228   -56.207655            0   -54.971639    37.215541 
     200    8.4818184   -55.127334            0   -54.181174    324.96159 
     400    8.5960916    -55.09236            0   -54.133453    334.83136 
     600    8.1607556   -55.073136            0   -54.162791      339.035 
     800    8.8350489   -55.133382            0   -54.147819    324.48149 
    1000    8.5692704   -55.118463            0   -54.162548    327.26328 
    1200    8.4174147   -55.126297            0   -54.187322     324.4248 
    1400    8.6362603   -55.123075            0   -54.159688     326.7798 
    1600     8.222512   -55.153799            0   -54.236565     317.8147 
    1800     8.324523   -55.116698            0   -54.188085    327.35373 
    2000    7.9615959   -55.155825            0   -54.267697    315.37215 
    2200     8.495968   -55.083943            0   -54.136205    336.67775 
    2400    7.7926986   -55.044816            0   -54.175529    344.87758 
    2600    8.1551351   -55.069404            0   -54.159687    339.60901 
    2800    8.2593599   -55.084151            0   -54.162807    336.54935 
    3000    8.2860869   -55.110296            0   -54.185971    328.99074 
    3200    8.4074534   -55.123576            0   -54.185712    326.06823 
    3400    8.6694364   -55.128925            0   -54.161836    324.67512 
    3600    8.5718984   -55.129861            0   -54.173653    325.20586 
    3800     8.508102   -55.099093            0   -54.150001    333.91437 
    4000    8.2966658   -55.117782            0   -54.192276    327.13516 
    4200    8.7641728   -55.135792            0   -54.158136    324.00844 
    4400    8.8827909   -55.096369            0    -54.10548    335.08467 
    4600    8.7666577   -55.127213            0   -54.149279    326.15539 
    4800    8.6670762   -55.163395            0    -54.19657    316.48383 
    5000    8.1893094   -55.073756            0   -54.160226    337.95271 
Loop time of 0.870594 on 4 procs for 5000 steps with 864 atoms

Performance: 49621.267 ns/day, 0.000 hours/ns, 5743.202 timesteps/s
96.5% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.33582    | 0.35125    | 0.3724     |   2.3 | 40.35
Bond    | 0.00030267 | 0.00031316 | 0.00033538 |   0.0 |  0.04
Neigh   | 0.034246   | 0.03479    | 0.035904   |   0.4 |  4.00
Comm    | 0.15068    | 0.17419    | 0.19191    |   3.6 | 20.01
Output  | 0.00044776 | 0.00054703 | 0.00083177 |   0.0 |  0.06
Modify  | 0.27679    | 0.28079    | 0.28849    |   0.9 | 32.25
Other   |            | 0.02871    |            |       |  3.30

Nlocal:    216 ave 216 max 216 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    888.75 ave 899 max 876 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Neighs:    4536 ave 4737 max 4335 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 18144
Ave neighs/atom = 21
Ave special neighs/atom = 0
Neighbor list builds = 178
Dangerous builds = 11


Total wall time: 0:00:00
